CID 67452878

1-(3-fluoropyridin-2-yl)cyclobutane-1-carbonitrile

Structural Information

Molecular Formula
C10H9FN2
SMILES
C1CC(C1)(C#N)C2=C(C=CC=N2)F
InChI
InChI=1S/C10H9FN2/c11-8-3-1-6-13-9(8)10(7-12)4-2-5-10/h1,3,6H,2,4-5H2
InChIKey
XVPDCACJJBQDIA-UHFFFAOYSA-N
Compound name
1-(3-fluoro-2-pyridinyl)cyclobutane-1-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

176.07498 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.082256 130.1
[M+Na]+ 199.064198 139.5
[M-H]- 175.067704 133.6
[M+NH4]+ 194.108803 143.0
[M+K]+ 215.038138 139.3
[M+H-H2O]+ 159.072240 112.5
[M+HCOO]- 221.073181 147.2
[M+CH3COO]- 235.088831 195.0
[M+Na-2H]- 197.049646 137.1
[M]+ 176.07443142 130.7
[M]- 176.07552858 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe